REMARK Name = BDB014093 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.945 5.238 -1.116 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -0.771 4.047 -0.851 0.00 0.00 +0.267 C ATOM 3 C LIG 1 -1.883 3.075 -1.071 0.00 0.00 +0.126 A ATOM 4 N LIG 1 -2.086 2.150 -0.095 0.00 0.00 -0.245 NA ATOM 5 C LIG 1 -3.126 1.293 -0.253 0.00 0.00 +0.064 A ATOM 6 C LIG 1 -3.955 1.331 -1.375 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -3.737 2.302 -2.350 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -3.397 0.312 0.866 0.00 0.00 +0.202 C ATOM 9 N LIG 1 -2.603 -0.912 0.818 0.00 0.00 -0.220 N ATOM 10 N LIG 1 -2.460 -1.534 -0.413 0.00 0.00 -0.130 NA ATOM 11 C LIG 1 -1.819 -2.651 -0.421 0.00 0.00 +0.233 A ATOM 12 C LIG 1 -1.279 -3.362 0.735 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -1.449 -2.763 1.914 0.00 0.00 +0.077 A ATOM 14 O LIG 1 -1.524 -3.354 -1.538 0.00 0.00 -0.475 OA ATOM 15 C LIG 1 -1.658 -2.704 -2.817 0.00 0.00 +0.232 C ATOM 16 C LIG 1 -0.264 -2.454 -3.390 0.00 0.00 +0.060 C ATOM 17 C LIG 1 0.500 -1.368 -2.631 0.00 0.00 +0.108 C ATOM 18 N LIG 1 0.056 -0.040 -3.007 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -0.190 0.116 -3.975 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.339 1.165 -2.394 0.00 0.00 +0.266 C ATOM 21 O LIG 1 0.105 2.177 -3.060 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 0.916 1.238 -1.036 0.00 0.00 +0.168 A ATOM 23 C LIG 1 0.949 2.379 -0.161 0.00 0.00 +0.084 A ATOM 24 C LIG 1 1.786 2.017 0.869 0.00 0.00 +0.132 A ATOM 25 N LIG 1 2.105 0.711 0.659 0.00 0.00 -0.266 N ATOM 26 N LIG 1 1.641 0.229 -0.503 0.00 0.00 -0.164 NA ATOM 27 C LIG 1 -2.160 -1.467 2.015 0.00 0.00 +0.268 A ATOM 28 O LIG 1 -2.325 -0.980 3.130 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 -2.694 3.206 -2.189 0.00 0.00 +0.033 A ATOM 30 N LIG 1 0.384 3.643 -0.214 0.00 0.00 -0.277 N ATOM 31 H LIG 1 0.866 4.388 0.270 0.00 0.00 +0.155 HD ENDROOT BRANCH 25 32 ATOM 32 C LIG 1 2.849 -0.171 1.549 0.00 0.00 +0.112 C ATOM 33 C LIG 1 4.195 0.411 1.978 0.00 0.00 +0.055 C ATOM 34 C LIG 1 4.954 -0.594 2.840 0.00 0.00 +0.162 C ATOM 35 O LIG 1 4.096 -1.512 3.520 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 2.885 -0.912 3.966 0.00 0.00 +0.162 C ATOM 37 C LIG 1 2.007 -0.579 2.767 0.00 0.00 +0.055 C ENDBRANCH 25 32 TORSDOF 1